tert-butyl 3-[3-cyano-4-[(2,4-dichlorophenyl)amino]-6,7-dimethoxy-quinolin-2-yl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-cyano-4-[(2,4-dichlorophenyl)amino]-6,7-dimethoxy-quinolin-2-yl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[3-cyano-4-(2,4-dichloroanilino)-6,7-dimethoxy-2-quinolyl]azetidine-1-carboxylate CAS Name: 3-[3-cyano-4-(2,4-dichloroanilino)-6,7-dimethoxy-2-quinolinyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-cyano-4-(2,4-dichloroanilino)-6,7-dimethoxyquinolin-2-yl]azetidine-1-carboxylate Traditional Name: 3-[3-cyano-4-(2,4-dichloroanilino)-6,7-dimethoxy-2-quinolyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C26H26Cl2N4O4 MolecularWeight: 529.41504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)C2=NC3=CC(=C(C=C3C(=C2C#N)NC4=C(C=C(C=C4)Cl)Cl)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)C2=NC3=CC(=C(C=C3C(=C2C#N)NC4=C(C=C(C=C4)Cl)Cl)OC)OC

InChI

InChI=1S/C26H26Cl2N4O4/c1-26(2,3)36-25(33)32-12-14(13-32)23-17(11-29)24(30-19-7-6-15(27)8-18(19)28)16-9-21(34-4)22(35-5)10-20(16)31-23/h6-10,14H,12-13H2,1-5H3,(H,30,31)